4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine

C10H15BrN2O2 — CID 106447502

IUPAC4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
SMILESCC(C)COCCOc1cc(Br)ncn1
InChIInChI=1S/C10H15BrN2O2/c1-8(2)6-14-3-4-15-10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyGJPOIRKTKIJYRD-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.29
Rot. Bonds6

About 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine

4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine (PubChem CID 106447502) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine.

Molecular Properties

Compound Name4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
PubChem CID106447502
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
SMILESCC(C)COCCOc1cc(Br)ncn1
InChIInChI=1S/C10H15BrN2O2/c1-8(2)6-14-3-4-15-10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyGJPOIRKTKIJYRD-UHFFFAOYSA-N
XLogP2.29
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 69073848
4-bromo-2-[2-(2-methylpropoxy)ethoxy]-1,3-thiazole
CID 106447494
[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol
CID 106448445
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
3-chloro-6-[2-(2-methylpropoxy)ethoxy]pyridazine
CID 106447482
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924
[2-methyl-6-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanol
CID 106448453
1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
CID 106458424
4-fluoro-6-(2-methylpropoxy)pyrimidine
CID 115416023
N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106447868
2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451224
[6-(2-methylpropoxy)pyrimidin-4-yl]methanamine
CID 83619704

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine?
The IUPAC name of 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine (CID 106447502) is 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine.
What is the SMILES notation for 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine?
The canonical SMILES for 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine is CC(C)COCCOc1cc(Br)ncn1.
What is the InChIKey of 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine?
The InChIKey is GJPOIRKTKIJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-8(2)6-14-3-4-15-10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine?
4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine has a molecular weight of 275.15 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine is sourced from PubChem (CID 106447502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).